Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAromatase
LigandBDBM10005
Substrate/CompetitorBDBM8592
Meas. Tech.Aromatase Assay
pH7.4±n/a
Temperature310.15±n/a K
IC50 44±n/a nM
Citation Saberi, MRVinh, TKYee, SWGriffiths, BJEvans, PJSimons, C Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation. J Med Chem49:1016-22 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Aromatase
Name:Aromatase
Synonyms:ARO1 | Aromatase | CP19A_HUMAN | CYAR | CYP19 | CYP19A1 | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 19A1 | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM
Type:Enzyme
Mol. Mass.:57888.92
Organism:Homo sapiens (Human)
Description:P11511
Residue:503
Sequence:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL
GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN
ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL
YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI
LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI
YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK
NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH
PDETKNMLEMIFTPRNSDRCLEH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM10005
BDBM8592
NameBDBM10005
Synonyms:1-[(4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)methyl]-1H-1,2,4-triazole | 1-[(6-Methoxybenzofuran-2-yl)-(4-chlorophenyl)methyl]-1H-1,2,4-triazole | Benzofuran Triazole Derivative 7b
TypeSmall organic molecule
Emp. Form.C18H14ClN3O2
Mol. Mass.339.776
SMILESCOc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: